Molecule

ID:33871

General Information
Structure
Molecular Formula
C₄H₅N₅S
Molecular Mass
155.181
Exact Mass
155.02656619
Charge
0
InChI
InChI=1S/C4H5N5S/c1-2-6-7-4-9(2)8-3(5)10-4/h1H3,(H2,5,8)
InChIKey
MSEQOANGAYRVAI-UHFFFAOYSA-N
Canonic Smiles
Nc1nn2c(s1)nnc2C
Isomeric Smiles
n12c(sc(n2)N)nnc1C
Calculated Properties
JChem
Acid pKa
14.5898695
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.22250453
LogD (pH = 7.4)
-0.22250009
Log P
-0.2225
Molar Refractivity
60.4397
Polarizability
13.289688
Polar Surface Area
69.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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